[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3)C

InChI

InChI=1S/C20H21N5O4S/c1-13-10-14(2)25(24-13)17-6-5-15(11-22-17)19(27)29-12-18(26)23-20(28)21-8-7-16-4-3-9-30-16/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,23,26,28)